3,6-ditert-butyl-1-(3-tert-butyl-5-methyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(3+); dichloride

Systemtic Name: 3,6-ditert-butyl-1-(3-tert-butyl-5-methyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(3+); dichloride Openeye Name: 3,6-ditert-butyl-1-(3-tert-butyl-5-methyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(3+); dichloride CAS Name: 3,6-ditert-butyl-1-(3-tert-butyl-5-methyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; zirconium(3+); dichloride IUPAC Name: 3,6-ditert-butyl-1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(3+); dichloride Traditional Name: 3,6-ditert-butyl-1-(3-tert-butyl-5-methyl-cyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; zirconium(3+); dichloride Formula: C31H39Cl2Zr MolecularWeight: 573.77136

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C1C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1C=C(C=C1C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C31H39.2ClH.Zr/c1-19-13-22(30(5,6)7)16-24(19)27-17-23(31(8,9)10)18-28-25-15-21(29(2,3)4)12-11-20(25)14-26(27)28;;;/h11-19H,1-10H3;2*1H;/q-1;;;+3/p-2